Crystallography Open Database

Information card for entry 4316529

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Coordinates	4316529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Fe N9 O3 S3
Calculated formula	C18 H36 Fe N9 O3 S3
Title of publication	Iron Thiobiurets: Single-Source Precursors for Iron Sulfide Thin Films
Authors of publication	Karthik Ramasamy; Mohammad A. Malik; Madeline Helliwell; Floriana Tuna; Paul O'Brien
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8495 - 8503
a	25.5198 ± 0.0013 Å
b	25.5198 ± 0.0013 Å
c	16.9538 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	11041.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1638
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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